comprehensive atmospheric modeling of reactive cyclic siloxanes and their oxidation products
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2017
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Abstract
Cyclic volatile methyl siloxanes (cVMSs) are important components in
personal care products that transport and react in the atmosphere.
Octamethylcyclotetrasiloxane (D4), decamethylcyclopentasiloxane
(D5), dodecamethylcyclohexasiloxane (D6), and their gas-phase
oxidation products have been incorporated into the Community Multiscale Air
Quality (CMAQ) model. Gas-phase oxidation products, as the precursor to
secondary organic aerosol from this compound class, were included to quantify
the maximum potential for aerosol formation from gas-phase reactions with OH.
Four 1-month periods were modeled to quantify typical concentrations,
seasonal variability, spatial patterns, and vertical profiles. Typical model
concentrations showed parent compounds were highly dependent on population
density as cities had monthly averaged peak D5 concentrations up to
432 ng m−3. Peak oxidized D5 concentrations were
significantly less, up to 9 ng m−3, and were located downwind of
major urban areas. Model results were compared to available measurements and
previous simulation results. Seasonal variation was analyzed and differences
in seasonal influences were observed between urban and rural locations.
Parent compound concentrations in urban and peri-urban locations were
sensitive to transport factors, while parent compounds in rural areas and
oxidized product concentrations were influenced by large-scale seasonal
variability in OH.
| Reference Key |
janechek2017atmosphericcomprehensive
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|---|---|
| Authors | ;N. J. Janechek;N. J. Janechek;K. M. Hansen;C. O. Stanier;C. O. Stanier |
| Journal | Journal of agricultural and food chemistry |
| Year | 2017 |
| DOI |
10.5194/acp-17-8357-2017
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| URL | |
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